ethyl 4-[[4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-2-methyl-phenyl]-cyclopentyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-2-methyl-phenyl]-cyclopentyl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[3-(3-carbamimidoyl-N-methyl-anilino)prop-1-ynyl]-N-cyclopentyl-2-methyl-anilino]-4-oxo-butanoate CAS Name: 4-[4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-N-cyclopentyl-2-methylanilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-N-cyclopentyl-2-methylanilino]-4-oxobutanoate Traditional Name: 4-[4-[3-(3-amidino-N-methyl-anilino)prop-1-ynyl]-N-cyclopentyl-2-methyl-anilino]-4-keto-butyric acid ethyl ester Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(C1CCCC1)C2=C(C=C(C=C2)C#CCN(C)C3=CC=CC(=C3)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCC(=O)N(C1CCCC1)C2=C(C=C(C=C2)C#CCN(C)C3=CC=CC(=C3)C(=N)N)C

InChI

InChI=1S/C29H36N4O3/c1-4-36-28(35)17-16-27(34)33(24-11-5-6-12-24)26-15-14-22(19-21(26)2)9-8-18-32(3)25-13-7-10-23(20-25)29(30)31/h7,10,13-15,19-20,24H,4-6,11-12,16-18H2,1-3H3,(H3,30,31)